(2R)-N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]oxolane-2-carboxamide

C17H21N3O3 — CID 97007846

IUPAC(2R)-N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]oxolane-2-carboxamide
SMILESCc1ccccc1-c1cc(NC(=O)[C@H]2CCCO2)n(CCO)n1
InChIInChI=1S/C17H21N3O3/c1-12-5-2-3-6-13(12)14-11-16(20(19-14)8-9-21)18-17(22)15-7-4-10-23-15/h2-3,5-6,11,15,21H,4,7-10H2,1H3,(H,18,22)/t15-/m1/s1
InChIKeyOFDMDDBOMHPWPW-OAHLLOKOSA-N
MW315.37 g/mol
LogP1.97
Rot. Bonds5

About (2R)-N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]oxolane-2-carboxamide

(2R)-N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]oxolane-2-carboxamide (PubChem CID 97007846) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is (2R)-N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]oxolane-2-carboxamide
PubChem CID97007846
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name(2R)-N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]oxolane-2-carboxamide
SMILESCc1ccccc1-c1cc(NC(=O)[C@H]2CCCO2)n(CCO)n1
InChIInChI=1S/C17H21N3O3/c1-12-5-2-3-6-13(12)14-11-16(20(19-14)8-9-21)18-17(22)15-7-4-10-23-15/h2-3,5-6,11,15,21H,4,7-10H2,1H3,(H,18,22)/t15-/m1/s1
InChIKeyOFDMDDBOMHPWPW-OAHLLOKOSA-N
XLogP1.97
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]oxolane-2-carboxamide
CID 71933978
(1S,6S)-N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99775066
N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 95935311
N-(3-phenyl-1-propan-2-ylpyrazol-5-yl)oxolane-2-carboxamide
CID 56790135
N-(2-phenylphenyl)oxolane-2-carboxamide
CID 2995133
N-(2,6-dimethylphenyl)oxolane-2-carboxamide
CID 3155119
(2S)-N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]oxolane-2-carboxamide
CID 9323003
(2S)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide
CID 35278282
(2S)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 35277538
N-(1,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide
CID 56725172
(2R)-N-(2-ethyl-6-methylphenyl)oxolane-2-carboxamide
CID 887643
N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]oxolane-2-carboxamide
CID 71804951

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]oxolane-2-carboxamide (CID 97007846) is (2R)-N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]oxolane-2-carboxamide is Cc1ccccc1-c1cc(NC(=O)[C@H]2CCCO2)n(CCO)n1.
What is the InChIKey of (2R)-N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]oxolane-2-carboxamide?
The InChIKey is OFDMDDBOMHPWPW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-5-2-3-6-13(12)14-11-16(20(19-14)8-9-21)18-17(22)15-7-4-10-23-15/h2-3,5-6,11,15,21H,4,7-10H2,1H3,(H,18,22)/t15-/m1/s1.
What are the key properties of (2R)-N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]oxolane-2-carboxamide?
(2R)-N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]oxolane-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]oxolane-2-carboxamide is sourced from PubChem (CID 97007846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).